J1.357.070A
TL;DR: J1.357.070A (CAS 186347-84-2) is a chemical compound with molecular formula C38H50O13Si and molecular weight 742.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-diacetyloxy-15-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-9-triethylsilyloxy-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate
Also Known As: J1.357.070A, [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-Diacetyloxy-15-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-9-triethylsilyloxy-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate, 14beta-Hydroxy-7-O-(triethylsilyl) Baccatin III 1,14-Carbonate, (1S)-1,14beta-(Carbonyldioxy)-7beta-(triethylsiloxy)-9-oxo-5beta,20-epoxytaxa-11-ene-2alpha,4,10beta,13alpha-tetrol 2-benzoate 4,10-diacetate, (1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-bis(acetyloxy)-15-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-9-[(triethylsilyl)oxy]-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl benzoate
| Molecular Formula | C38H50O13Si |
|---|---|
| Molecular Weight | 742.30 g/mol |
| LogP | 4.8351 |
| Topological Polar Surface Area | 170.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 742.30206 |
| Heavy Atoms | 52 |
| Complexity | 1677.6829 |
Chemical Identifiers
| CAS Number | 186347-84-2 |
|---|---|
| SMILES | CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H]([C@H]5[C@@]([C@H]3OC(=O)C6=CC=CC=C6)(C4(C)C)OC(=O)O5)O)C)OC(=O)C)C)OC(=O)C |
Product Overview
J1.357.070A (CAS 186347-84-2), with molecular formula C38H50O13Si and molecular weight 742.30 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15R,16S)-4,12-diacetyloxy-15-hydroxy-10,14,20,20-tetramethyl-11,18-dioxo-9-triethylsilyloxy-6,17,19-trioxapentacyclo[11.6.1.01,16.03,10.04,7]icos-13-en-2-yl] benzoate.
Chemical Property Profile of J1.357.070A
Property Insights of J1.357.070A
The XLogP value of 4.8351 indicates that J1.357.070A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.19 Ų indicates high polarity, suggesting J1.357.070A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.357.070A has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.357.070A?
The CAS number of J1.357.070A is 186347-84-2.
What is the molecular formula of J1.357.070A?
The molecular formula of J1.357.070A is C38H50O13Si.
What is the molecular weight of J1.357.070A?
The molecular weight of J1.357.070A is 742.30 g/mol.
Where can I buy J1.357.070A?
You can request a quote for J1.357.070A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.357.070A?
Yes, KEHONG BIO provides custom synthesis services for J1.357.070A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.